4-[(2S)-1-azido-3-(4-phenylmethoxyphenyl)propan-2-yl]-1-(phenylmethyl)-1,4-diazepan-5-one

Systemtic Name: 4-[(2S)-1-azido-3-(4-phenylmethoxyphenyl)propan-2-yl]-1-(phenylmethyl)-1,4-diazepan-5-one Openeye Name: 4-[(1S)-1-(azidomethyl)-2-(4-benzyloxyphenyl)ethyl]-1-benzyl-1,4-diazepan-5-one CAS Name: 4-[(2S)-1-azido-3-(4-phenylmethoxyphenyl)propan-2-yl]-1-(phenylmethyl)-1,4-diazepan-5-one IUPAC Name: 4-[(2S)-1-azido-3-(4-phenylmethoxyphenyl)propan-2-yl]-1-benzyl-1,4-diazepan-5-one Traditional Name: 4-[(1S)-1-(azidomethyl)-2-(4-benzoxyphenyl)ethyl]-1-benzyl-1,4-diazepan-5-one Formula: C28H31N5O2 MolecularWeight: 469.57804

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1=O)C(CC2=CC=C(C=C2)OCC3=CC=CC=C3)CN=[N+]=[N-])CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1=O)[C@@H](CC2=CC=C(C=C2)OCC3=CC=CC=C3)CN=[N+]=[N-])CC4=CC=CC=C4

InChI

InChI=1S/C28H31N5O2/c29-31-30-20-26(19-23-11-13-27(14-12-23)35-22-25-9-5-2-6-10-25)33-18-17-32(16-15-28(33)34)21-24-7-3-1-4-8-24/h1-14,26H,15-22H2/t26-/m0/s1